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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)amino]methyl]-3H-benzimidazol-5-amine 2-[[cyclobutylmethyl(methyl)amin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 5.57 -40.23 4 4 1 59 245.35 4 ↓
Mid Mid (pH 6-8) 1.43 3.25 -8 3 4 0 58 244.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-1-(1-methylbenzimidazol-2-yl)methanamine N-(cyclobutylmethyl)-1-(1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 7.69 -46.01 2 3 1 34 230.335 4 ↓
Hi High (pH 8-9.5) 2.21 6.33 -8.96 1 3 0 30 229.327 4 ↓

Analogs

44515496
44515496
44515498
44515498
45628704
45628704
45628705
45628705

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(1-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 8.03 -40.79 2 3 1 34 244.362 4 ↓
Hi High (pH 8-9.5) 2.76 6.74 -8.08 1 3 0 30 243.354 4 ↓

Analogs

44512065
44512065
44512067
44512067
44515496
44515496
44515498
44515498
45628704
45628704

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-1-(1-methylbenzimidazol-2-yl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(1-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 8.05 -40.68 2 3 1 34 244.362 4 ↓
Hi High (pH 8-9.5) 2.76 6.86 -8.45 1 3 0 30 243.354 4 ↓

Parameters Provided:

ring.id = 217210
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 217210 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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